2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G751-2031 |
| Compound Name: | 2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H18 F N3 O2 S2 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC1=CC(c2cccc(c2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9799 |
| logD: | 3.8061 |
| logSw: | -4.4011 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | SOYFMZMYPNFAOE-UHFFFAOYSA-N |